Molecule

ID:125763

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₆N₂O
Molecular Mass
382.49744
Exact Mass
382.20451346
Charge
0
InChI
InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3/t20-/m1/s1
InChIKey
URKVBEKZCMUTQC-HXUWFJFHSA-N
Canonic Smiles
CN1CCCC[C@@H]1Cn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2
Isomeric Smiles
O=C(c1cccc2c1cccc2)c1cn(C[C@@H]2N(C)CCCC2)c2ccccc12
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6898265
LogD (pH = 7.4)
4.411314
Log P
5.673291
Molar Refractivity
118.8982
Polarizability
48.519203
Polar Surface Area
25.24
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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